methyl 3-[2-[[1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalen-1-yl]-2-methyl-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[2-[[1-(3-butyl-4-naphthalen-2-ylsulfonyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]naphthalen-1-yl]-2-methyl-3-oxidanylidene-propanoate Openeye Name: methyl 3-[2-[[2-[3-butyl-4-(2-naphthylsulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]amino]-1-naphthyl]-2-methyl-3-oxo-propanoate CAS Name: 3-[2-[[1-[3-butyl-4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]amino]-1-naphthalenyl]-2-methyl-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[2-[[1-(3-butyl-4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]amino]naphthalen-1-yl]-2-methyl-3-oxopropanoate Traditional Name: 3-[2-[[2-[3-butyl-4-(2-naphthylsulfonyl)piperazino]-2-keto-1-methyl-ethyl]amino]-1-naphthyl]-3-keto-2-methyl-propionic acid methyl ester Formula: C36H41N3O6S MolecularWeight: 643.79224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(C)NC4=C(C5=CC=CC=C5C=C4)C(=O)C(C)C(=O)OC

Isomeric SMILES

CCCCC1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(C)NC4=C(C5=CC=CC=C5C=C4)C(=O)C(C)C(=O)OC

InChI

InChI=1S/C36H41N3O6S/c1-5-6-14-29-23-38(20-21-39(29)46(43,44)30-18-16-26-11-7-8-13-28(26)22-30)35(41)25(3)37-32-19-17-27-12-9-10-15-31(27)33(32)34(40)24(2)36(42)45-4/h7-13,15-19,22,24-25,29,37H,5-6,14,20-21,23H2,1-4H3